Geometry & MOs

Info

ID:	61655
PubChem CID:	26711528
Reduced:	SCl2N3O4H15C19 (1)
Stoich.:	AB2C3D4E15F19 (1)
Weight, g/mol:	355.238553
ΔH_f, kcal/mol:	-83.73
Dipole, Da:	5.57
IP(EA), eV:	-8.65(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[[2-(3,5-dimethylphenoxy)acetyl]amino]methyl]phenyl]methyl-diethylazanium

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations